#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxn s THR 2 N 0.00 3.84 0.16 2.61 -4.23 -1.26 -4.96 115.64 111.80 1wxn s THR 2 Ca 0.00 -0.31 -0.31 0.00 -1.18 0.00 0.00 61.69 59.89 1wxn s THR 2 Cb 0.00 -5.00 -0.08 0.00 1.34 0.00 0.00 72.50 68.76 1wxn s THR 2 CO 0.00 -1.90 1.36 0.00 -0.54 0.00 0.00 174.62 173.54 1wxn s ALA 3 N 5.30 3.57 0.04 3.99 0.00 -1.26 -1.29 121.76 132.11 1wxn s ALA 3 Ca 0.42 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1wxn s ALA 3 Cb -0.03 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1wxn s ALA 3 CO -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 175.76 175.12 1wxn s SER 5 N -2.05 -0.09 -0.54 0.00 0.01 -1.26 -0.78 113.70 108.98 1wxn s SER 5 Ca -0.06 0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.48 1wxn s SER 5 Cb -0.04 0.17 0.16 0.00 0.21 0.00 0.00 66.02 66.53 1wxn s SER 5 CO -0.03 -0.09 0.39 0.00 0.41 0.00 0.00 173.24 173.91 1wxn n GLY 7 N 2.59 1.13 0.07 0.00 0.00 -1.26 -1.41 105.19 106.31 1wxn n GLY 7 Ca 0.22 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.67 1wxn n GLY 7 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wxn h ASN 8 N 0.00 0.00 -2.79 1.61 -1.24 -1.98 -3.45 115.58 107.72 1wxn h ASN 8 Ca 0.00 -0.19 -0.66 0.00 0.71 0.00 0.00 56.30 56.15 1wxn h ASN 8 Cb 0.00 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 38.96 1wxn h ASN 8 CO 0.00 0.10 -0.50 -0.44 -1.29 0.00 0.00 177.43 175.30 1wxn s SER 9 N -4.30 6.21 0.07 1.15 0.01 -0.50 -4.99 113.70 111.36 1wxn s SER 9 Ca 0.06 0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.80 1wxn s SER 9 Cb 0.13 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1wxn s SER 9 CO 0.72 0.38 -0.21 -0.54 0.41 0.00 0.00 173.24 174.00 1wxn s LYS 10 N -0.86 1.30 0.00 12.44 3.01 -1.15 0.08 119.74 134.56 1wxn s LYS 10 Ca 0.14 -1.05 0.00 0.00 -1.01 0.00 0.00 55.97 54.05 1wxn s LYS 10 Cb -0.12 -1.49 0.00 0.00 -1.01 0.00 0.00 37.83 35.21 1wxn s LYS 10 CO 0.03 0.37 0.00 0.41 0.51 0.00 0.00 175.35 176.67 1wxn n GLY 11 N 1.51 1.69 3.21 -3.33 0.00 0.04 -1.56 105.19 106.75 1wxn n GLY 11 Ca -0.18 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 1wxn n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxn s ILE 12 N -1.08 1.66 -0.09 -0.61 -1.09 -0.22 -0.46 121.20 119.31 1wxn s ILE 12 Ca 0.00 -0.88 -0.03 0.00 -2.23 0.00 0.00 60.65 57.51 1wxn s ILE 12 Cb 0.00 -1.39 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 1wxn s ILE 12 CO 0.00 0.47 0.04 -0.72 -1.23 0.00 0.00 174.94 173.50 1wxn s TYR 13 N -0.34 3.29 -0.11 3.97 1.13 -0.41 -1.25 117.35 123.62 1wxn s TYR 13 Ca 0.04 0.28 -0.05 0.00 -1.41 0.00 0.00 57.07 55.93 1wxn s TYR 13 Cb -0.10 -1.82 -0.04 0.00 -1.10 0.00 0.00 41.96 38.91 1wxn s TYR 13 CO 0.00 0.55 0.10 -1.58 -2.51 0.00 0.00 175.55 172.11 1wxn s TRP 14 N -0.95 3.45 -0.41 -3.49 0.52 0.21 -4.79 118.94 113.49 1wxn s TRP 14 Ca 0.15 0.42 -0.29 0.00 0.02 0.00 0.00 56.10 56.39 1wxn s TRP 14 Cb -0.12 -1.90 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1wxn s TRP 14 CO 0.04 0.64 1.19 -0.06 0.02 0.00 0.00 176.95 178.78 1wxn s PHE 15 N -0.95 2.81 -0.31 -1.98 0.08 -1.26 -1.10 117.98 115.26 1wxn s PHE 15 Ca 0.14 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.03 1wxn s PHE 15 Cb -0.12 -4.17 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1wxn s PHE 15 CO 0.03 -1.33 0.00 2.48 -0.10 0.00 0.00 175.22 176.30 1wxn n TYR 16 N 7.75 -1.41 -3.55 0.36 0.18 -0.36 -4.90 117.16 115.22 1wxn n TYR 16 Ca 0.13 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.51 1wxn n TYR 16 Cb 0.48 -1.43 -0.11 0.00 -0.38 0.00 0.00 39.34 37.90 1wxn n TYR 16 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1wxn s ARG 17 N -3.83 3.55 -0.10 -3.48 0.52 -1.25 -4.95 118.95 109.41 1wxn s ARG 17 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1wxn s ARG 17 Cb 0.00 -3.76 0.10 0.00 0.52 0.00 0.00 34.95 31.81 1wxn s ARG 17 CO 0.00 -0.40 1.54 -0.35 0.02 0.00 0.00 175.30 176.11 1wxn n PRO 18 N 5.08 1.25 -3.61 3.54 -0.05 -1.26 -4.44 135.00 135.52 1wxn n PRO 18 Ca -0.13 -0.55 -0.29 0.00 -0.05 0.00 0.00 63.50 62.48 1wxn n PRO 18 Cb 0.50 -1.21 -0.14 0.00 -0.05 0.00 0.00 33.50 32.59 1wxn n PRO 18 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1wxn s SER 19 N 0.93 3.61 -0.38 3.54 1.04 -1.26 -5.10 113.70 116.08 1wxn s SER 19 Ca 0.11 -1.70 -0.09 0.00 0.48 0.00 0.00 55.95 54.74 1wxn s SER 19 Cb 0.09 -0.59 0.05 0.00 0.10 0.00 0.00 66.02 65.66 1wxn s SER 19 CO 0.01 -0.39 0.20 0.00 0.98 0.00 0.00 173.24 174.03 1wxn s PRO 21 N 1.47 4.42 -0.55 0.00 0.04 -1.26 -4.94 135.00 134.19 1wxn s PRO 21 Ca 0.01 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 1wxn s PRO 21 Cb -0.20 -2.59 -0.20 0.00 0.04 0.00 0.00 34.50 31.55 1wxn s PRO 21 CO 0.04 0.18 3.30 -2.37 0.04 0.00 0.00 177.00 178.20 1wxn n THR 22 N 0.14 3.35 -0.12 1.26 5.66 -1.26 -4.14 114.28 119.17 1wxn n THR 22 Ca 0.03 -1.81 -0.21 0.00 -3.05 0.00 0.00 64.05 59.01 1wxn n THR 22 Cb 0.52 -2.19 -0.10 0.00 -1.55 0.00 0.00 70.33 67.00 1wxn n THR 22 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1wxn n ASP 23 N 2.91 2.00 -1.92 1.09 2.03 -1.26 -4.56 116.55 116.84 1wxn n ASP 23 Ca 0.54 0.07 -0.15 0.00 0.52 0.00 0.00 54.79 55.76 1wxn n ASP 23 Cb 0.65 -0.53 0.17 0.00 -0.72 0.00 0.00 41.12 40.69 1wxn n ASP 23 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wxn n ARG 24 N -3.60 2.31 -1.96 -0.67 5.12 -1.26 -4.86 116.66 111.74 1wxn n ARG 24 Ca -0.45 -2.40 -0.16 0.00 -1.93 0.00 0.00 57.85 52.91 1wxn n ARG 24 Cb 0.90 -1.96 -0.04 0.00 -1.16 0.00 0.00 32.46 30.20 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wxn n GLY 25 N -0.60 0.47 3.62 -0.13 0.00 -1.26 -4.68 105.19 102.61 1wxn n GLY 25 Ca 0.44 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.93 1wxn n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wxn n TYR 26 N -2.89 1.66 -0.01 1.61 4.01 -1.26 -4.57 117.16 115.72 1wxn n TYR 26 Ca -0.18 0.60 0.06 0.00 -0.16 0.00 0.00 57.90 58.22 1wxn n TYR 26 Cb 0.59 -2.37 -0.10 0.00 -0.31 0.00 0.00 39.34 37.15 1wxn n TYR 26 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1wxn n THR 27 N 3.03 0.01 -4.18 -0.72 5.66 -0.32 -4.86 114.28 112.89 1wxn n THR 27 Ca 0.20 -0.28 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 1wxn n THR 27 Cb 0.18 0.21 -0.10 0.00 -1.55 0.00 0.00 70.33 69.07 1wxn n THR 27 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wxn s GLY 28 N -3.43 1.26 -0.04 1.09 0.00 0.41 -5.01 107.32 101.59 1wxn s GLY 28 Ca -0.05 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.04 1wxn s GLY 28 CO 0.51 -1.39 0.09 -0.45 0.00 0.00 0.00 173.10 171.86 1wxn s SER 29 N -3.12 -0.07 0.33 1.64 0.15 -1.26 -0.97 113.70 110.41 1wxn s SER 29 Ca 0.33 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.20 1wxn s SER 29 Cb 0.07 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1wxn s SER 29 CO 0.08 -0.06 0.21 0.00 1.20 0.00 0.00 173.24 174.67 1wxn s ARG 31 N -3.63 3.75 0.20 0.00 6.06 -1.26 -0.04 118.95 124.02 1wxn s ARG 31 Ca 0.36 -0.28 0.11 0.00 -2.50 0.00 0.00 55.73 53.42 1wxn s ARG 31 Cb 0.03 -3.19 -0.04 0.00 0.06 0.00 0.00 34.95 31.81 1wxn s ARG 31 CO 0.22 0.46 -0.22 -0.47 -2.50 0.00 0.00 175.30 172.78 1wxn s TYR 32 N -0.15 2.33 0.30 5.12 6.14 0.36 -4.79 117.35 126.66 1wxn s TYR 32 Ca 0.08 -0.34 0.03 0.00 0.64 0.00 0.00 57.07 57.48 1wxn s TYR 32 Cb -0.12 -1.15 0.76 0.00 0.42 0.00 0.00 41.96 41.87 1wxn s TYR 32 CO 0.01 0.51 1.64 0.74 0.64 0.00 0.00 175.55 179.09 1wxn h PHE 33 N 3.12 0.39 0.00 4.97 0.04 -1.99 -0.29 116.94 123.18 1wxn h PHE 33 Ca -0.46 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1wxn h PHE 33 Cb 1.21 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1wxn h PHE 33 CO 0.69 -0.23 -0.76 1.28 -0.60 0.00 0.00 178.31 178.70 1wxn n LEU 34 N -5.23 0.72 0.00 1.54 7.99 -1.26 -5.04 117.00 115.72 1wxn n LEU 34 Ca 0.23 -0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1wxn n LEU 34 Cb 0.72 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1wxn n LEU 34 CO 0.06 0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.72 1wxn n GLY 35 N 1.49 -0.62 3.81 -0.72 0.00 -0.12 -1.22 105.19 107.80 1wxn n GLY 35 Ca 0.05 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1wxn n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxn s THR 36 N -1.59 5.22 -0.17 2.61 2.01 -0.26 -0.49 115.64 122.97 1wxn s THR 36 Ca 0.00 0.63 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 1wxn s THR 36 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1wxn s THR 36 CO 0.00 0.52 0.01 0.00 -0.69 0.00 0.00 174.62 174.46 1wxn s THR 39 N 1.45 1.93 0.00 0.00 -4.23 -0.14 -1.06 115.64 113.59 1wxn s THR 39 Ca 0.03 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1wxn s THR 39 Cb -0.14 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1wxn s THR 39 CO -0.10 0.32 0.00 -0.81 -0.54 0.00 0.00 174.62 173.49 1wxn n PRO 40 N 4.61 0.00 0.00 3.99 -0.04 -1.08 -0.44 135.00 142.04 1wxn n PRO 40 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1wxn n PRO 40 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1wxn n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wxn n ALA 41 N -3.00 0.92 -1.97 0.55 0.00 -0.91 -2.94 120.51 113.15 1wxn n ALA 41 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1wxn n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wxn n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25